REMARK Name = BDB008799 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.855 -0.070 0.747 0.00 0.00 +0.144 A ATOM 2 N LIG 1 0.553 0.165 0.328 0.00 0.00 -0.315 N ATOM 3 C LIG 1 -0.221 -0.917 0.702 0.00 0.00 +0.129 A ATOM 4 C LIG 1 0.682 -1.779 1.300 0.00 0.00 +0.184 A ATOM 5 N LIG 1 0.365 -2.988 1.780 0.00 0.00 -0.200 NA ATOM 6 C LIG 1 -0.925 -3.278 1.602 0.00 0.00 +0.242 A ATOM 7 N LIG 1 -1.893 -2.506 1.026 0.00 0.00 -0.205 NA ATOM 8 C LIG 1 -1.562 -1.282 0.568 0.00 0.00 +0.149 A ATOM 9 N LIG 1 1.936 -1.252 1.327 0.00 0.00 -0.208 NA ENDROOT BRANCH 1 12 ATOM 10 C LIG 1 5.289 1.044 -0.306 0.00 0.00 +0.122 A ATOM 11 C LIG 1 4.165 0.254 -0.068 0.00 0.00 +0.057 A ATOM 12 C LIG 1 3.012 0.802 0.520 0.00 0.00 +0.021 A ATOM 13 C LIG 1 3.014 2.150 0.898 0.00 0.00 +0.012 A ATOM 14 C LIG 1 4.130 2.948 0.650 0.00 0.00 +0.004 A ATOM 15 C LIG 1 5.257 2.396 0.041 0.00 0.00 +0.046 A BRANCH 10 16 ATOM 16 O LIG 1 6.457 0.634 -0.885 0.00 0.00 -0.489 OA BRANCH 16 18 ATOM 17 C LIG 1 6.277 -1.287 -2.342 0.00 0.00 +0.051 C ATOM 18 C LIG 1 6.724 -0.770 -0.978 0.00 0.00 +0.167 C ATOM 19 C LIG 1 8.234 -0.941 -0.824 0.00 0.00 +0.051 C ENDBRANCH 16 18 ENDBRANCH 10 16 ENDBRANCH 1 12 BRANCH 6 20 ATOM 20 C LIG 1 -1.415 -4.603 2.126 0.00 0.00 +0.375 C ATOM 21 O LIG 1 -0.737 -5.476 2.639 0.00 0.00 -0.242 OA BRANCH 20 22 ATOM 22 O LIG 1 -2.763 -4.713 1.960 0.00 0.00 -0.475 OA ATOM 23 H LIG 1 -3.096 -3.893 1.529 0.00 0.00 +0.296 HD ENDBRANCH 20 22 ENDBRANCH 6 20 BRANCH 8 24 ATOM 24 N LIG 1 -2.499 -0.441 0.004 0.00 0.00 -0.324 N ATOM 25 H LIG 1 -2.377 0.521 0.305 0.00 0.00 +0.148 HD BRANCH 24 26 ATOM 26 C LIG 1 -3.912 -0.777 -0.196 0.00 0.00 +0.072 C ATOM 27 C LIG 1 -4.644 -1.005 1.120 0.00 0.00 +0.028 C BRANCH 26 28 ATOM 28 C LIG 1 -4.117 -1.873 -1.247 0.00 0.00 +0.009 C ATOM 29 C LIG 1 -4.269 -3.382 -0.892 0.00 0.00 +0.005 C ATOM 30 C LIG 1 -5.250 -3.485 -2.078 0.00 0.00 +0.001 C ATOM 31 C LIG 1 -5.542 -1.986 -1.867 0.00 0.00 +0.005 C ENDBRANCH 26 28 ENDBRANCH 24 26 ENDBRANCH 8 24 BRANCH 2 32 ATOM 32 C LIG 1 0.120 1.266 -0.524 0.00 0.00 +0.159 C BRANCH 32 33 ATOM 33 C LIG 1 -0.677 2.341 0.187 0.00 0.00 -0.028 A ATOM 34 C LIG 1 -1.381 3.266 -0.602 0.00 0.00 +0.006 A ATOM 35 C LIG 1 -2.138 4.284 -0.016 0.00 0.00 +0.013 A ATOM 36 C LIG 1 -2.210 4.405 1.378 0.00 0.00 +0.055 A ATOM 37 C LIG 1 -1.494 3.497 2.169 0.00 0.00 +0.013 A ATOM 38 C LIG 1 -0.736 2.479 1.583 0.00 0.00 +0.006 A BRANCH 36 39 ATOM 39 C LIG 1 -3.007 5.519 2.013 0.00 0.00 +0.417 C ATOM 40 F LIG 1 -4.080 5.898 1.265 0.00 0.00 -0.166 F ATOM 41 F LIG 1 -3.506 5.186 3.236 0.00 0.00 -0.166 F ATOM 42 F LIG 1 -2.264 6.644 2.202 0.00 0.00 -0.166 F ENDBRANCH 36 39 ENDBRANCH 32 33 ENDBRANCH 2 32 TORSDOF 11